2-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide

C24H22N2O2 — CID 5229080

IUPAC2-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1
InChIInChI=1S/C24H22N2O2/c1-15(2)18-10-13-22-21(14-18)26-24(28-22)17-8-11-19(12-9-17)25-23(27)20-7-5-4-6-16(20)3/h4-15H,1-3H3,(H,25,27)
InChIKeyGBPNPTQIUGOIOR-UHFFFAOYSA-N
MW370.45 g/mol
LogP6.18
Rot. Bonds4

About 2-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide

2-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide (PubChem CID 5229080) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
PubChem CID5229080
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name2-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1
InChIInChI=1S/C24H22N2O2/c1-15(2)18-10-13-22-21(14-18)26-24(28-22)17-8-11-19(12-9-17)25-23(27)20-7-5-4-6-16(20)3/h4-15H,1-3H3,(H,25,27)
InChIKeyGBPNPTQIUGOIOR-UHFFFAOYSA-N
XLogP6.18
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 23850230
2-methyl-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 698044
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
CID 801337
2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 699256
2-methoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127516
N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
CID 17101713
2-methyl-N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]benzamide
CID 17102989
5-(3,4-dimethylphenyl)-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
CID 4271036
2-phenoxy-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 1324569
3-methyl-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127491
2,4-dichloro-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127512
2-methyl-2-phenoxy-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]propanamide
CID 30308084

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The IUPAC name of 2-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide (CID 5229080) is 2-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide is Cc1ccccc1C(=O)Nc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1.
What is the InChIKey of 2-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The InChIKey is GBPNPTQIUGOIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-15(2)18-10-13-22-21(14-18)26-24(28-22)17-8-11-19(12-9-17)25-23(27)20-7-5-4-6-16(20)3/h4-15H,1-3H3,(H,25,27).
What are the key properties of 2-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide?
2-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide has a molecular weight of 370.45 g/mol, XLogP of 6.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 5229080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).